2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl-octadecyl-amino]ethanoic acid

Systemtic Name: 2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoyl-octadecyl-amino]ethanoic acid Openeye Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]-octadecyl-amino]acetic acid CAS Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]-octadecylamino]acetic acid IUPAC Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]-octadecylamino]acetic acid Traditional Name: 2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]-stearyl-amino]acetic acid Formula: C31H53N3O5 MolecularWeight: 547.76962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC(=O)O)C(=O)CNC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC(=O)O)C(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C31H53N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34(25-30(37)38)29(36)24-33-31(39)28(32)23-26-18-20-27(35)21-19-26/h18-21,28,35H,2-17,22-25,32H2,1H3,(H,33,39)(H,37,38)/t28-/m0/s1